SpectraBase Spectrum ID |
BDzqgzs2OvU |
Name |
Glutaric acid, 1-cyclopentylethyl cyclohexylmethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
324.230059506 u |
Formula |
C19H32O4 |
InChI |
InChI=1S/C19H32O4/c1-15(17-10-5-6-11-17)23-19(21)13-7-12-18(20)22-14-16-8-3-2-4-9-16/h15-17H,2-14H2,1H3 |
InChIKey |
SOGGQQDJRAWKGI-UHFFFAOYSA-N |
Molecular Weight |
324.461 g/mol |
SMILES |
C(CCC(OCC1CCCCC1)=O)C(OC(C)C1CCCC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929649 |